C159H192F4N22O14 — CID 158519622
1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;bis(1-(3-fluorophenyl)-3-(2-methylpropyl)pyridin-2-one);1-(4-fluorophenyl)-3-(2-methylpropyl)pyridin-2-one;1-(5-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-pyridin-2-ylpyridin-2-one (PubChem CID 158519622) has the molecular formula C159H192F4N22O14 and a molecular weight of 2711.42 g/mol. Its IUPAC name is 1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;bis(1-(3-fluorophenyl)-3-(2-methylpropyl)pyridin-2-one);1-(4-fluorophenyl)-3-(2-methylpropyl)pyridin-2-one;1-(5-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-pyridin-2-ylpyridin-2-one.
| Compound Name | 1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;bis(1-(3-fluorophenyl)-3-(2-methylpropyl)pyridin-2-one);1-(4-fluorophenyl)-3-(2-methylpropyl)pyridin-2-one;1-(5-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-pyridin-2-ylpyridin-2-one |
|---|---|
| PubChem CID | 158519622 |
| Molecular Formula | C159H192F4N22O14 |
| Molecular Weight | 2711.42 g/mol |
| Exact Mass | 2709.49 |
| IUPAC Name | 1-(6-cyclopropylpyridazin-3-yl)-3-(2-methylpropyl)pyridin-2-one;bis(1-(3-fluorophenyl)-3-(2-methylpropyl)pyridin-2-one);1-(4-fluorophenyl)-3-(2-methylpropyl)pyridin-2-one;1-(5-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one;3-(2-methylpropyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]pyrazol-4-yl]pyridin-2-one;3-(2-methylpropyl)-1-pyridin-2-ylpyridin-2-one |
| SMILES | CC(C)Cc1cccn(-c2ccc(C3CC3)nn2)c1=O.CC(C)Cc1cccn(-c2ccc(F)cc2)c1=O.CC(C)Cc1cccn(-c2ccc(F)cn2)c1=O.CC(C)Cc1cccn(-c2ccc(N3CCOCC3)cn2)c1=O.CC(C)Cc1cccn(-c2cccc(F)c2)c1=O.CC(C)Cc1cccn(-c2cccc(F)c2)c1=O.CC(C)Cc1cccn(-c2ccccn2)c1=O.CC(C)Cc1cccn(-c2cnn(CC3CCOCC3)c2)c1=O.CC(C)Cc1cccn(-c2cnn(C[C@@H]3CCOC3)c2)c1=O.CC(C)Cc1cccn(-c2cnn(C[C@H]3CCOC3)c2)c1=O |
| InChI | InChI=1S/C18H25N3O2.C18H23N3O2.2C17H23N3O2.C16H19N3O.3C15H16FNO.C14H15FN2O.C14H16N2O/c1-14(2)10-16-4-3-7-21(18(16)22)17-11-19-20(13-17)12-15-5-8-23-9-6-15;1-14(2)12-15-4-3-7-21(18(15)22)17-6-5-16(13-19-17)20-8-10-23-11-9-20;2*1-13(2)8-15-4-3-6-20(17(15)21)16-9-18-19(11-16)10-14-5-7-22-12-14;1-11(2)10-13-4-3-9-19(16(13)20)15-8-7-14(17-18-15)12-5-6-12;2*1-11(2)9-12-5-4-8-17(15(12)18)14-7-3-6-13(16)10-14;1-11(2)10-12-4-3-9-17(15(12)18)14-7-5-13(16)6-8-14;1-10(2)8-11-4-3-7-17(14(11)18)13-6-5-12(15)9-16-13;1-11(2)10-12-6-5-9-16(14(12)17)13-7-3-4-8-15-13/h3-4,7,11,13-15H,5-6,8-10,12H2,1-2H3;3-7,13-14H,8-12H2,1-2H3;2*3-4,6,9,11,13-14H,5,7-8,10,12H2,1-2H3;3-4,7-9,11-12H,5-6,10H2,1-2H3;2*3-8,10-11H,9H2,1-2H3;3-9,11H,10H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-9,11H,10H2,1-2H3/t;;2*14-;;;;;;/m..10....../s1 |
| InChIKey | HMBCLOMMJPYGIF-CPTSURLBSA-N |
| XLogP | 26.69 |
| TPSA | 378.07 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 199 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2711.42 |
| LogP ≤ 5 | 26.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |